タイトル | Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides. |
---|
ジャーナル・号・ページ | J. Med. Chem., Vol. 65, Page 8289-8302, Year 2022 |
---|
掲載日 | 2022年4月24日 (構造データの登録日) |
---|
著者 | Liu, G. / Hou, R. / Xu, L. / Zhang, X. / Yan, J. / Xing, C. / Xu, K. / Zhuang, C. |
---|
リンク | J. Med. Chem. / PubMedで検索 |
---|
手法 | X線回折 |
---|
解像度 | 2.3 - 2.8 Å |
---|
構造データ | PDB-7xm2: Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with NXPZ-2 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7xm3: Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with 6k 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-7xm4: Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with 6e 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-7xm5: Keap1 Kelch domain (residues 322-609) in complex with 6i 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å |
---|
化合物 | ChemComp-GFD: 2-[(4-aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide
ChemComp-GED: N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
ChemComp-GDJ: N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpiperazin-1-yl)ethanamide
ChemComp-GCI: N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide
|
---|
由来 | - homo sapiens (ヒト)
|
---|
キーワード | PROTEIN BINDING (タンパク質) / oxidative stress sensor |
---|